3,4,4-trifluoroheptane;hydrofluoride

C7H14F4 — CID 90932672

IUPAC3,4,4-trifluoroheptane;hydrofluoride
SMILESCCCC(F)(F)C(F)CC.F
InChIInChI=1S/C7H13F3.FH/c1-3-5-7(9,10)6(8)4-2;/h6H,3-5H2,1-2H3;1H
InChIKeyUOWQWAREGWLJMN-UHFFFAOYSA-N
MW174.18 g/mol
LogP3.32
Rot. Bonds4

About 3,4,4-trifluoroheptane;hydrofluoride

3,4,4-trifluoroheptane;hydrofluoride (PubChem CID 90932672) has the molecular formula C7H14F4 and a molecular weight of 174.18 g/mol. Its IUPAC name is 3,4,4-trifluoroheptane;hydrofluoride.

Molecular Properties

Compound Name3,4,4-trifluoroheptane;hydrofluoride
PubChem CID90932672
Molecular FormulaC7H14F4
Molecular Weight174.18 g/mol
Exact Mass174.10
IUPAC Name3,4,4-trifluoroheptane;hydrofluoride
SMILESCCCC(F)(F)C(F)CC.F
InChIInChI=1S/C7H13F3.FH/c1-3-5-7(9,10)6(8)4-2;/h6H,3-5H2,1-2H3;1H
InChIKeyUOWQWAREGWLJMN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,4-trifluoroheptane;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoroheptane;hydrofluoride?
The IUPAC name of 3,4,4-trifluoroheptane;hydrofluoride (CID 90932672) is 3,4,4-trifluoroheptane;hydrofluoride.
What is the SMILES notation for 3,4,4-trifluoroheptane;hydrofluoride?
The canonical SMILES for 3,4,4-trifluoroheptane;hydrofluoride is CCCC(F)(F)C(F)CC.F.
What is the InChIKey of 3,4,4-trifluoroheptane;hydrofluoride?
The InChIKey is UOWQWAREGWLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3.FH/c1-3-5-7(9,10)6(8)4-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of 3,4,4-trifluoroheptane;hydrofluoride?
3,4,4-trifluoroheptane;hydrofluoride has a molecular weight of 174.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoroheptane;hydrofluoride is sourced from PubChem (CID 90932672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).